N-[(4-fluorophenyl)methyl]-1-[4-(2-methylpropoxy)phenyl]methanamine

C18H22FNO — CID 39389632

IUPACN-[(4-fluorophenyl)methyl]-1-[4-(2-methylpropoxy)phenyl]methanamine
SMILESCC(C)COc1ccc(CNCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H22FNO/c1-14(2)13-21-18-9-5-16(6-10-18)12-20-11-15-3-7-17(19)8-4-15/h3-10,14,20H,11-13H2,1-2H3
InChIKeyFVGHBODKVUMXMG-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.15
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-1-[4-(2-methylpropoxy)phenyl]methanamine

N-[(4-fluorophenyl)methyl]-1-[4-(2-methylpropoxy)phenyl]methanamine (PubChem CID 39389632) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-[4-(2-methylpropoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-[4-(2-methylpropoxy)phenyl]methanamine
PubChem CID39389632
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[(4-fluorophenyl)methyl]-1-[4-(2-methylpropoxy)phenyl]methanamine
SMILESCC(C)COc1ccc(CNCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H22FNO/c1-14(2)13-21-18-9-5-16(6-10-18)12-20-11-15-3-7-17(19)8-4-15/h3-10,14,20H,11-13H2,1-2H3
InChIKeyFVGHBODKVUMXMG-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(2-methylpropoxy)phenyl]methyl]-1-phenylmethanamine
CID 39369134
1-[4-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 54798957
4-fluoro-N-[2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55947281
N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylphenyl)methoxy]phenyl]methanamine;hydrochloride
CID 17054404
N-[[4-fluoro-2-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]phenyl]methyl]-1-methylpiperidin-4-amine
CID 166818497
2-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 39372728
N',N'-diethyl-N-[[4-(2-methylpropoxy)phenyl]methyl]ethane-1,2-diamine
CID 54803547
2,2,4,4,5-pentamethyl-N-[[4-(2-methylpropoxy)phenyl]methyl]hexan-1-amine
CID 164535561
(2R)-1-[benzyl(methyl)amino]-3-[4-[[(4-fluorophenyl)methylamino]methyl]phenoxy]propan-2-ol
CID 26323939
1,3-bis[[4-(2-methylpropoxy)phenyl]methyl]urea;ethane
CID 143580549
3-[[4-(2-methylpropoxy)phenyl]methylamino]propanoic acid;2,2,2-trifluoroacetic acid
CID 23121063
1-(4-fluorophenyl)-N-[[3-(3-methylbutoxy)phenyl]methyl]methanamine
CID 54803819

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-[4-(2-methylpropoxy)phenyl]methanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-[4-(2-methylpropoxy)phenyl]methanamine (CID 39389632) is N-[(4-fluorophenyl)methyl]-1-[4-(2-methylpropoxy)phenyl]methanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-[4-(2-methylpropoxy)phenyl]methanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-[4-(2-methylpropoxy)phenyl]methanamine is CC(C)COc1ccc(CNCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-[4-(2-methylpropoxy)phenyl]methanamine?
The InChIKey is FVGHBODKVUMXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-14(2)13-21-18-9-5-16(6-10-18)12-20-11-15-3-7-17(19)8-4-15/h3-10,14,20H,11-13H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-1-[4-(2-methylpropoxy)phenyl]methanamine?
N-[(4-fluorophenyl)methyl]-1-[4-(2-methylpropoxy)phenyl]methanamine has a molecular weight of 287.38 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-[4-(2-methylpropoxy)phenyl]methanamine is sourced from PubChem (CID 39389632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).